NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5049 8.3049 120.2796 55.6718 33.9698 174.1392 2 T 4.0341 8.8590 117.1297 61.9571 69.9102 173.5490 3 T 4.6540 9.0212 125.8274 62.5854 68.5743 174.5001 4 F 4.8617 8.9121 125.7277 56.6810 41.7940 174.9194 5 K 4.9213 8.7018 118.3016 54.8493 36.2984 175.2705 6 L 4.8418 7.6504 126.5262 53.0776 43.7135 175.9161 7 I 3.9319 8.3718 127.3845 60.7425 39.2864 175.7861 8 I 4.5533 7.8370 124.0303 58.7641 37.1492 175.7309 9 N 4.6632 8.0696 126.5920 52.7990 38.2189 175.4469 10 G 4.2949 7.4992 107.2465 43.8365 0.0000 173.9492 11 K 4.3310 8.4360 118.6286 56.7927 32.2469 177.0192 12 T 4.4699 7.4487 113.7703 64.3136 69.2486 173.5911 13 L 4.9057 7.2438 119.0126 53.1004 45.9646 174.6920 14 K 5.4318 7.3333 116.4058 56.7545 35.5518 173.0149 15 G 4.0281 7.6121 114.0945 44.2025 0.0000 173.0575 16 E 4.7913 8.1409 125.7876 55.4572 32.8690 173.9738 17 T 4.9609 8.3608 118.3850 62.3804 73.5816 172.7397 18 T 5.5515 8.1762 112.5071 60.0502 73.0380 171.6458 19 T 4.4148 7.9949 113.6111 61.6562 70.8025 171.0599 20 E 4.8868 8.8900 119.5954 54.6391 31.1579 174.8361 21 A 4.9471 8.6658 126.8039 49.8199 22.1311 177.3086 22 V 3.6864 8.8631 120.8064 64.6958 31.7935 175.3637 23 D 4.9719 7.8682 117.5035 51.3502 41.4601 175.9696 24 A 3.2817 8.5575 120.0732 54.9972 17.6629 179.4264 25 A 3.9496 7.6677 118.6037 54.8246 18.5083 178.8807 26 T 4.3268 8.1427 113.1246 64.2417 70.2654 176.6378 27 A 3.9237 7.7069 122.4467 55.1735 18.3636 178.9960 28 E 3.2713 7.5686 117.3625 59.2120 29.4292 179.0540 29 K 3.4990 7.8483 117.9469 59.2023 32.0340 179.2091 30 V 3.6371 7.2151 118.3386 65.7891 31.5577 178.2170 31 F 4.4352 8.1805 117.9480 60.3188 38.5967 177.6407 32 K 3.7266 8.7844 120.4334 59.5462 31.9339 178.6859 33 Q 3.6686 7.7262 118.3941 59.1378 28.9730 177.7278 34 Y 4.0222 7.9901 120.1122 60.5909 38.9118 177.5188 35 A 3.7895 8.7317 121.8420 55.2832 18.4451 178.9668 36 N 3.8964 8.7220 114.9459 56.9429 38.9118 176.6023 37 D 4.4444 7.6358 119.1449 57.4096 41.0768 178.1993 38 N 4.4665 7.4675 115.1611 57.0537 39.0697 175.7867 39 G 3.7549 7.9141 108.9000 46.3867 0.0000 175.2996 40 I 4.3280 7.4980 120.1465 59.6638 36.4536 175.9339 41 D 5.1604 7.8025 123.7981 53.8629 42.6056 178.0036 42 G 4.6511 7.7762 115.7121 45.1884 0.0000 175.8346 43 E 4.7292 8.6798 127.0450 54.0511 31.3078 174.9551 44 W 4.4935 9.1489 125.0799 56.9091 30.3892 176.2823 45 T 4.7287 8.4757 112.5236 60.6827 72.0718 171.8984 46 Y 4.6438 8.7014 127.0020 55.9296 40.0857 174.9325 47 D 4.3897 7.8611 127.8271 53.1899 40.5798 177.5203 48 D 3.9899 8.2822 124.6984 55.4110 39.9175 177.4887 49 A 4.0974 7.9880 122.8097 55.1884 18.2551 178.4388 50 T 4.4356 7.1984 100.9464 60.5042 69.7401 173.4561 51 K 3.2838 7.9006 121.1854 57.8281 29.5713 173.1427 52 T 4.8195 7.1468 117.5556 62.3552 72.3759 172.8649 53 F 4.1312 9.2122 127.2117 58.3096 40.2574 174.8968 54 T 4.5245 9.3251 122.0174 61.7186 69.5719 174.1582 55 V 3.9924 7.0923 126.0204 60.0474 34.6552 175.6749 56 T 4.4677 7.8715 116.2101 63.2030 71.8671 173.8230 57 E 4.2202 8.8581 127.6397 56.1386 29.8241 175.4507 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.50 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.62 0.00 2 T 8.86 4.03 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 3 T 9.02 4.65 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 4 F 8.91 4.86 0.00 3.66 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.70 4.92 0.00 1.72 1.62 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.74 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.51 1.47 7.81 6 L 7.65 4.84 0.00 0.27 0.82 0.39 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.37 3.93 1.75 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.74 0.78 0.00 0.00 8 I 7.84 4.55 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.85 1.04 0.00 0.00 9 N 8.07 4.66 0.00 2.91 2.74 0.00 0.00 6.71 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 7.50 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.44 4.33 0.00 1.73 1.81 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.45 7.81 12 T 7.45 4.47 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 13 L 7.24 4.91 0.00 1.65 1.58 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.33 5.43 0.00 1.66 1.62 0.00 1.61 0.00 0.00 2.37 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.28 7.81 15 G 7.61 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.14 4.79 0.00 1.93 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.31 0.00 17 T 8.36 4.96 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 18 T 8.18 5.55 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 19 T 7.99 4.41 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 20 E 8.89 4.89 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.32 0.00 21 A 8.67 4.95 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.86 3.69 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.98 0.00 0.00 23 D 7.87 4.97 0.00 3.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.56 3.28 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.67 3.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.14 4.33 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 27 A 7.71 3.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.57 3.27 0.00 1.87 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.12 0.00 29 K 7.85 3.50 0.00 1.94 1.77 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.62 7.81 30 V 7.22 3.64 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.82 0.00 0.00 31 F 8.18 4.44 0.00 3.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.78 3.73 0.00 1.42 1.62 0.00 0.61 0.00 0.00 0.94 0.00 0.00 2.75 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.18 1.29 7.81 33 Q 7.73 3.67 0.00 2.32 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 34 Y 7.99 4.02 0.00 3.20 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.73 3.79 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.72 3.90 0.00 2.75 2.85 0.00 0.00 7.31 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 7.64 4.44 0.00 2.90 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.47 4.47 0.00 2.48 2.75 0.00 0.00 6.41 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.91 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.50 4.33 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.63 0.92 0.00 0.00 41 D 7.80 5.16 0.00 2.70 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.78 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.68 4.73 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 44 W 9.15 4.49 0.00 3.24 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.48 4.73 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 46 Y 8.70 4.64 0.00 2.75 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.86 4.39 0.00 2.61 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.28 3.99 0.00 2.75 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.99 4.10 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.20 4.44 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 51 K 7.90 3.28 0.00 1.92 1.78 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.30 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.31 1.99 7.81 52 T 7.15 4.82 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 53 F 9.21 4.13 0.00 2.85 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 9.33 4.52 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 55 V 7.09 3.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.77 0.00 0.00 56 T 7.87 4.47 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 57 E 8.86 4.22 0.00 1.96 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00